Structure of PDB 5u0c Chain A Binding Site BS01

Receptor Information

>5u0c Chain A (length=624) Species: 64320 (Zika virus)

SCAEAPNMKIIGRRIERIRNEHAETWFLDENHPYRTWAYHGSYEAPTQGS
ASSLVNGVVRLLSKPWDVVTGVTGIAMTDTTPYGQQRVFKEKVDTRVPDP
QEGTRQVMNIVSSWLWKELGKRKRPRVCTKEEFINKVRSNAALGAIFEEE
KEWKTAVEAVNDPRFWALVDREREHHLRGECHSCVYNMMGKREKKQGEFG
KAKGSRAIWYMWLGARFLEFEALGFLNEDHWMGRENSGGGVEGLGLQRLG
YILEEMNRAPGGKMYADDTAGWDTRISKFDLENEALITNQMEEGHRTLAL
AVIKYTYQNKVVKVLRPAEGGKTVMDIISRQDQRGSGQVVTYALNTFTNL
VVQLIRNMEAEEVLEMQDLWLLRKPEKVTRWLQSNGWDRLKRMAVSGDDC
VVKPIDDRFAHALRFLNDMGKVRKDTQEWKPSTGWSNWEEVPFCSHHFNK
LYLKDGRSIVVPCRHQDELIGRARVSPGAGWSIRETACLAKSYAQMWQLL
YFHRRDLRLMANAICSAVPVDWVPTGRTTWSIHGKGEWMTTEDMLMVWNR
VWIEENDHMEDKTPVTKWTDIPYLGKREDLWCGSLIGHRPRTTWAENIKD
TVNMVRRIIGDEEKYMDYLSTQVR

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5u0c Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5u0c Structure and function of the Zika virus full-length NS5 protein.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): E439 H443 C448 C451
• Binding residue (residue number reindexed from 1): E172 H176 C181 C184
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  3.4.21.91: flavivirin.
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0003968 RNA-dependent RNA polymerase activity
• GO:0005524 ATP binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:5u0c, PDBe:5u0c, PDBj:5u0c
• PDBsum: 5u0c
• PubMed: 28345656
• UniProt: Q32ZE1|POLG_ZIKV Genome polyprotein